Periodic Approximants. Aperiodic Hamiltonians

Transcription

1 Periodic Approximants to Sponsoring Aperiodic Hamiltonians Jean BELLISSARD CRC 701, Bielefeld, Germany Westfälische Wilhelms-Universität, Münster Department of Mathematics Georgia Institute of Technology, Atlanta School of Mathematics & School of Physics SFB 878, Münster, Germany

2 Contributors G. De Nittis, Facultad de Matemáticas, Pontifica Universidad Católica de Chile, Santiago, Chile S. Beckus, Mathematisches Institut, Friedrich-Schiller-Universität Jena, Germany Department of Mathematics, Technion, Haifa, Israel

3 Main References J. E. Anderson, I. Putnam, Topological invariants for substitution tilings and their associated C -algebras, Ergodic Theory Dynam. Systems, 18, (1998), F. Gähler, Talk given at Aperiodic Order, Dynamical Systems, Operator Algebra and Topology Victoria, BC, August 4-8, 2002, unpublished. J. Bellissard, R. Benedetti, J. M. Gambaudo, Spaces of Tilings, Finite Telescopic Approximations, Comm. Math. Phys., 261, (2006), S. Beckus, J. Bellissard, Continuity of the spectrum of a field of self-adjoint operators, arxiv: , July 2015, April J. Bellissard, Wannier Transform for Aperiodic Solids, Talks given at EPFL, Lausanne, June 3rd, 2010 KIAS, Seoul, Korea September 27, 2010 Georgia Tech, March 16th, 2011 Cergy-Pontoise September 5-6, 2011 U.C. Irvine, May 15-19, 2013 WCOAS, UC Davis, October 26, 2013 online at jeanbel/talksjbe.html

4 Content Warning This talk is reporting on a work in progress. 1. The Bloch-Floquet Theory 2. Aperiodicity 3. Continuous Fields 4. Dynamical Systems 5. Periodic Approximations for Subshifts

5 I - The Bloch-Floquet Theory

6 The Goal Compute the spectrum of the Schrödinger operator describing the electron motion in a solid H = 2 2m + a x L a v a ( x) acting on H = L 2 (R d ) a labels the atomic species L a denotes the sets of positions of atoms of type a v a is the atomic potential around an atom of type a

7 The Goal Tight-binding representation: if ψ H = a l2 (L a ) ( Hψ )a (x) = b y L b t ab (x, y) ψ b (y) The wave function representing the electron is peaked at each atom with amplitude ψ a (x) if x L a.

8 Periodic Materials: Crystals There is a co-compact discrete subgroup G R d such that translations by elements of G leave the sets L a invariant for all a s. G is unitarily represented in H and Diagonalizing simultaneously U and H leads to U(g)HU(g) 1 = H H = B H k dk H = B H k dk B is the Pontryagin dual of G, called Brillouin zone, H k = L 2 (R d /G) or H k = a l2 (L a /G), H k is the restriction of H to H k with k-dependent boundary conditions (Bloch boundary conditions).

9 Periodic Materials: Crystals In general, H k has a discrete spectrum depending smoothly on k. The maps k B E(k) R representing the eigenvalues are called bands. The spectrum of H is the union of the image E(B) over all bands. It is a union of intervals possibly separated by gaps.

10 II - Aperiodicity

11 Aperiodic Media Crystals in a magnetic field (Peirls, 1933; Harper, 1955; Hofstadter, 1976). Amorphous materials, silicon, metallic glasses, even liquids. Disordered systems: semiconductors at very low temperature. Anderson weak and strong localization (Anderson, 1958). Quasicrystal (Shechtman et al., 1984).

12 The Harper Model Perfect square lattice, nearest neighbor hoping terms, uniform magnetic field B perpendicular to the plane of the lattice Translation operators U 1, U 2

13 The Harper Model Commutation rules (Rotation Algebra) U 1 U 2 = e 2ıπα U 2 U 1 α = φ φ 0 φ = Ba 2 φ 0 = h e Kinetic Energy (Hamiltonian) H = t ( U 1 + U 2 + U ) U 1 2 Landau gauge ψ(m, n) = e 2ıπmk ϕ(n). Hence Hψ = Eψ means ϕ(n + 1) + ϕ(n 1) + 2 cos 2π(nα k)ϕ(n) = E t ϕ(n)

14 The Harper Model

15 1D-Quasicrystals Spectrum of the Kohmoto model (Fibonacci Hamiltonian) (Hψ)(n) = ψ(n + 1) + ψ(n 1) +λ χ (0,α] (x nα) ψ(n) as a function of α. Method: transfer matrix calculation

16 2D-Quasicrystals

17 2D-Quasicrystals Solvable 2D-model, reducible to 1D-calculations

18 3D-Quasicrystals A sample of the icosahedral quasicrystal AlPdMn

19 3D-Quasicrystals 80 (B) 60 E F The Density of States for (A) a periodic approximant of the icosahedral quasicrystal Al 62.5 Cu 25 Fe 12.5 (28 atoms/unit cell) (B) the crystal Al 7 Cu 2 Fe (40 atoms/unit cell) Energy (ev) S. Roche, G. Trambly de Laissardière, D. Mayou, Electronic transport properties of quasicrystals, J. Math. Phys., 38, , (1997) E F (A) Energy (ev)

20 Methodologies For one dimensional Schrödinger equation of the form Hψ(x) = d2 ψ dx 2 + V(x)ψ(x) a transfer matrix approach has been used for a long time to analyze the spectral properties (Bogoliubov 36). A KAM-type perturbation theory has been used successfully (Dinaburg, Sinai 76, JB 80 s).

21 Methodologies For discrete one-dimensional models of the form Hψ(n) = t n+1 ψ(n + 1) + t n ψ(n 1) + V n ψ(n) a transfer matrix approach is the most efficient method, both for numerical calculation and for mathematical approach: the KAM-type perturbation theory also applies (JB 80 s). models defined by substitutions using the trace map (Khomoto et al., Ostlundt et al. 83, JB 89, JB, Bovier, Ghez, Damanik... in the nineties) theory of cocycle (Avila, Jitomirskaya, Damanik, Krikorian, Gorodestsky...).

22 Methodologies In higher dimension almost no rigorous results are available Exceptions are for models that are Cartesian products of 1D models (Sire 89, Damanik, Gorodestky,Solomyak 14) Numerical calculations performed on quasi-crystals have shown that Finite cluster calculation lead to a large number of spurious edge states. Periodic approximations are much more efficient Some periodic approximations exhibit defects with contribution to the energy spectrum.

23 III - Continuous Fields

24 Warm Up: the Hausdorff Topology If (X, d) is a compact metric space, the space K(X) of compact subsets of X becomes a compact metric space when endowed with the Hausdorff metric d H (F, G) = max{δ(f, G), δ(g, F)} δ(f, G) = sup x F dist(x, G) If X is only compact and metrizable, a Haudorff topology on K(X) can similarly be defined, which makes K(X) compact and metrizable as well. (Hausdorff 1914, Vietoris 1922, Fell 1961)

25 Warm Up: C -algebras A C -algebra is a complex Banach algebra A such that there is an antilinear involution a A a A such that, (ab) = b a a a = a 2 for any a, b A. Remark: Such a norm comes only from the algebraic structure if A, B are two C -algebras, then any injective -homomorphism is isometric the norm is the square root of the spectral radius of a a.

26 Continuous Fields of Hamiltonians A = (A t ) t T is a field of self-adjoint operators whenever 1. T is a topological space, 2. for each t T, H t is a Hilbert space, 3. for each t T, A t is a self-adjoint operator acting on H t. The field A = (A t ) t T is called p2-continuous whenever, for every polynomial p R(X) with degree at most 2, the following norm map is continuous Φ p : t T p(a t ) [0, + )

27 Continuous Fields of Hamiltonians Theorem: (S. Beckus, J. Bellissard 16) 1. A field A = (A t ) t T of self-adjoint bounded operators is p2-continuous if and only if the spectrum of A t, seen as a compact subset of R, is a continuous function of t with respect to the Hausdorff metric. 2. Equivalently A = (A t ) t T is p2-continuous if and only if the spectral gap edges of A t are continuous functions of t.

28 Continuous Fields of Hamiltonians The field A = (A t ) t T is called p2-α-hölder continuous whenever, for every polynomial p R(X) with degree at most 2, the following norm map is α-hölder continuous Φ p : t T p(a t ) [0, + ) uniformly w.r.t. p(x) = p 0 +p 1 X+p 2 X 2 R(X) such that p 0 + p 1 + p 2 M, for some M > 0.

29 Continuous Fields of Hamiltonians Theorem: (S. Beckus, J. Bellissard 16) 1. A field A = (A t ) t T of self-adjoint bounded operators is p2-α-hölder continuous then the spectrum of A t, seen as a compact subset of R, is an α/2-hölder continuous function of t with respect to the Hausdorff metric. 2. In such a case, the edges of a spectral gap of A t are α-hölder continuous functions of t at each point t where the gap is open. 3. At any point t 0 for which a spectral gap of A t is closing, if the tip of the gap is isolated from other gaps, then its edges are α/2-hölder continuous functions of t at t Conversely if the gap edges are α-hölder continuous, then the field A is p2-α-hölder continuous.

30 Continuous Fields of Hamiltonians The spectrum of the Harper model the Hamiltonina is p2-lipshitz continuous A gap closing (enlargement) (JB, 94)

31 Continuous Fields on C -algebras (Tomyama 1958, Dixmier-Douady 1962) Given a topological space T, let A = (A t ) t T be a family of C -algebras. A vector field is a family a = (a t ) t T with a t A t for all t T. A is called continuous whenever there is a family Υ of vector fields such that, for all t T, the set Υ t of elements a t with a Υ is a dense - subalgebra of A t for all a Υ the map t T a t [0, + ) is continuous a vector field b = (b t ) t T belongs to Υ if and only if, for any t 0 T and any ɛ > 0, there is U an open neighborhood of t 0 and a Υ, with a t b t < ɛ whenever t U.

32 Continuous Fields on C -algebras Theorem If A is a continuous field of C -algebras and if a Υ is a continuous self-adjoint vector field, then, for any continuous function f C 0 (R), the maps t T f (a t ) [0, + ) are continuous In particular, such a vector field is p2-continuous

33 Continuous Fields on C -algebras How does one construct a continuous field of C -algebras?

34 IV - Dynamical Systems

35 Hull The set L of atomic position is Delone: There is a minimum distance 2a between two distinct atoms The diameter 2b of the largest hole is finite. There is a topology on the set D a,b of Delone sets with given a, b making it a compact second countable space. The Hull Ω of L is the closure of its orbit under R d inside the space of Delone sets. Hence Ω is a compact second countable space. The translation group R d acts on D a,b and on Ω by homeomorphisms. Hence (D a,b, R d ) and (Ω, R d ) are topological dynamical systems.

36 Transversal The set D 0 a,b D a,b the origin of R d. is defined as the set of Delone sets containing Given L D a,b its transversal is defined as Ξ = Ω D 0 a,b. Assumption: to avoid technicalities, it will be assumed that there is a co-compact discrete subgroup G R d, acting on Ξ, with at least one dense orbit.

37 C -algebras Given a topological dynamical system (X, G), where X is a compact space and G a unimodular locally compact group, the reduced crossed product C -algebra C(X) red G is built as follows: if A, B C c (X G) of continuous functions with compact support, the product is defined by AB(x, g) = The adjoint is defined by G A(x, h)b(h 1 x, h 1 g) dg A (x, g) = A(g 1 x, g 1 )

38 C -algebras Given x X let π x be the representation of C c (X G) on L 2 (G) defined by π x (A)ψ(g) = Then a C -norm is defined by G A(g 1 x, g 1 h)ψ(h) dh A = sup x X π x (A) By completing the space C c (X G) w.r.t. this norm leads to the C -algebra C(X) red G.

39 Invariant Subsets A subset F X is G-invariant whenever x F, g G implies gx F. Let I G (X) be the set of closed G-invariant subsets of X. Endowed with the Hausdorff topology, it is a compact Hausdorff space. For F I G (X) let A F = C(F) red G. This gives a field A = (A F ) F IG (X) of C -algebras.

40 Invariant Subsets Theorem: If G is discrete and amenable, and if X is second countable, then the field A = (A F ) F IG (X) is continuous. If G = Z d a point x X is periodic whenever there is a subgroup H G of finite index, such that hx = x for h H. x is periodic if and only if its orbit O x = Gx is finite and minimal. If F I G (X) is the limit (in the Hausdorff topology) of a sequence (F n ) n N of minimal finite invariant sets, then A F is the limit of A Fn in the sense of continuous fields of C -algebras.

41 V - Periodic Approximations for Subshifts

42 Subshifts: de Bruijn Graphs Let A be a finite alphabet, let Ξ = A Z be equipped with the shift S. Let Σ I(Ξ) be a subshift. Then given l, r N an (l, r)-collared dot is a dotted word of the form u v with u, v being words of length u = l, v = r such that uv is a sub-word of at least one element of Σ

43 Subshifts: de Bruijn Graphs an (l, r)-collared letter is a dotted word of the form u a v with a A, u, v being words of length u = l, v = r such that uav is a sub-word of at least one element of Σ: a collared letter links two collared dots

44 Subshifts: de Bruijn Graphs let V l,r be the set of (l, r)-collared dots, let E l,r be the set of (l, r)- collared letters: then the pair G l,r = (V l,r, E l,r ) gives a finite directed graph. (de Bruijn, 46, Anderson-Putnam 98, Gähler, 01) The origin 0 e and the end 1 e are the collared dots to the left and the right of the collared letter e

45 The Fibonacci Tiling Alphabet: A = {a, b} Fibonacci sequence: generated by the substitution a ab, b a starting from either a a or b a Left: G 1,1 Right: G 8,8

46 The Thue-Morse Tiling Alphabet: A = {a, b} Thue-Morse sequences: generated by the substitution a ab, b ba starting from either a a or b a Thue-Morse G 1,1

47 The Rudin-Shapiro Tiling Alphabet: A = {a, b, c, d} Rudin-Shapiro sequences: generated by the substitution a ab, b ac, c db, d dc starting from either b a, c a or b d, c d Rudin-Shapiro G 1,1

48 The Full Shift on Two Letters Alphabet: A = {a, b} all possible word allowed. G 1,2 G 2,2

49 Strongly Connected Graphs The de Bruijn graphs are simple: between two vertices there is at most one edge, connected: if the sub-shift is topologically transitive, (i.e. one orbit is dense), then between any two vertices, there is at least one path connected them, has no dandling vertex: each vertex admits at least one ingoing and one outgoing vertex, if n = l + r = l + r then the graphs G l,r and G l,r are isomorphic and denoted by G n.

50 Strongly Connected Graphs (S. Beckus, PhD Thesis, 2016) A directed graph is called strongly connected if any pair x, y of vertices there is an oriented path from x to y and another one from y to x. Proposition: If the sub-shift Σ is minimal (i.e. every orbit is dense), then each of the de Bruijn graph is stongly connected.

51 Strongly Connected Graphs (S. Beckus, PhD Thesis, 2016) Main result: Theorem: A subshift Σ A Z can be Hausdorff approximated by a sequence of periodic orbits if and only if it admits is a sequence of strongly connected de Bruijn graphs. Construction: Periodic approximations can be obtained from simple closed paths in the sequence of strongly connected de Bruijn graphs.

52 Open Problem Question: Is there a similar criterion for the space of Delone sets in R d or for some remarkable subclasses of it? Some sufficient conditions have been found for Ω = A G, where G is a discrete, countable and amenable group, in particular when G = Z d. (S. Beckus, PhD Thesis, 2016)

53 Thanks for listening!